1-[(2-chlorophenyl)methyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione

C24H19ClN2O2S — CID 110552521

IUPAC1-[(2-chlorophenyl)methyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESO=C1C(c2cccs2)=C(N2CCCc3ccccc32)C(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C24H19ClN2O2S/c25-18-10-3-1-8-17(18)15-27-23(28)21(20-12-6-14-30-20)22(24(27)29)26-13-5-9-16-7-2-4-11-19(16)26/h1-4,6-8,10-12,14H,5,9,13,15H2
InChIKeyHMARLYDCWPHTSC-UHFFFAOYSA-N
MW434.95 g/mol
LogP5.13
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione

1-[(2-chlorophenyl)methyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110552521) has the molecular formula C24H19ClN2O2S and a molecular weight of 434.95 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110552521
Molecular FormulaC24H19ClN2O2S
Molecular Weight434.95 g/mol
Exact Mass434.09
IUPAC Name1-[(2-chlorophenyl)methyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESO=C1C(c2cccs2)=C(N2CCCc3ccccc32)C(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C24H19ClN2O2S/c25-18-10-3-1-8-17(18)15-27-23(28)21(20-12-6-14-30-20)22(24(27)29)26-13-5-9-16-7-2-4-11-19(16)26/h1-4,6-8,10-12,14H,5,9,13,15H2
InChIKeyHMARLYDCWPHTSC-UHFFFAOYSA-N
XLogP5.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.95
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-yl)-1-[(4-methoxyphenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552461
1-(3-chloro-4-methylphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555069
3-(3,4-dihydro-2H-quinolin-1-yl)-1-[2-(4-methoxyphenyl)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552414
1-cyclohexyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553150
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553962
1-(3-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553995
1-[(2-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110578146
3-(2,3-dihydroindol-1-yl)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553012
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110556672
1-[(2-chlorophenyl)methyl]-3-(2-hydroxyethylsulfanyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552533
3-(2,3-dihydroindol-1-yl)-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553964
3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-propylpyrrole-2,5-dione
CID 110568157

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione (CID 110552521) is 1-[(2-chlorophenyl)methyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione is O=C1C(c2cccs2)=C(N2CCCc3ccccc32)C(=O)N1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is HMARLYDCWPHTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O2S/c25-18-10-3-1-8-17(18)15-27-23(28)21(20-12-6-14-30-20)22(24(27)29)26-13-5-9-16-7-2-4-11-19(16)26/h1-4,6-8,10-12,14H,5,9,13,15H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione?
1-[(2-chlorophenyl)methyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 434.95 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110552521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).